SCHEMBL3949892

SCHEMBL3949892

COC(=O)c1ccc(-c2cccc(C(=O)NC(C)[C@@H](C)C(=O)N3CC[C@](O)(c4ccc(Cl)cc4)C(C)(C)C3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3947722 0.92 CCR1 (0.77) CCR1
SCHEMBL2159602 0.91 CCR1 (0.76) CCR1
SCHEMBL3949864 0.89 CCR1 (0.71) CCR1
SCHEMBL12399228 0.86 CCR1 (0.80) CCR1
SCHEMBL3943738 0.85 CCR1 (0.81) CCR1
SCHEMBL3945242 0.84 CCR1 (0.80) CCR1
SCHEMBL12399850 0.84 CCR1 (0.85) CCR1
SCHEMBL3941789 0.84 CCR1 (0.80) CCR1
SCHEMBL3940632 0.84 CCR1 (0.69) CCR1
SCHEMBL3943809 0.84 CCR1 (1.00) CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed